N-(2-oxocyclopropyl)propane-2-sulfonamide

C6H11NO3S — CID 139987359

IUPACN-(2-oxocyclopropyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CC1=O
InChIInChI=1S/C6H11NO3S/c1-4(2)11(9,10)7-5-3-6(5)8/h4-5,7H,3H2,1-2H3
InChIKeyHBPNCTYYVXAFJJ-UHFFFAOYSA-N
MW177.22 g/mol
LogP-0.34
Rot. Bonds3

About N-(2-oxocyclopropyl)propane-2-sulfonamide

N-(2-oxocyclopropyl)propane-2-sulfonamide (PubChem CID 139987359) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is N-(2-oxocyclopropyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-oxocyclopropyl)propane-2-sulfonamide
PubChem CID139987359
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC NameN-(2-oxocyclopropyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CC1=O
InChIInChI=1S/C6H11NO3S/c1-4(2)11(9,10)7-5-3-6(5)8/h4-5,7H,3H2,1-2H3
InChIKeyHBPNCTYYVXAFJJ-UHFFFAOYSA-N
XLogP-0.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxocyclopropyl)propane-2-sulfonamide?
The IUPAC name of N-(2-oxocyclopropyl)propane-2-sulfonamide (CID 139987359) is N-(2-oxocyclopropyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2-oxocyclopropyl)propane-2-sulfonamide?
The canonical SMILES for N-(2-oxocyclopropyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CC1=O.
What is the InChIKey of N-(2-oxocyclopropyl)propane-2-sulfonamide?
The InChIKey is HBPNCTYYVXAFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3S/c1-4(2)11(9,10)7-5-3-6(5)8/h4-5,7H,3H2,1-2H3.
What are the key properties of N-(2-oxocyclopropyl)propane-2-sulfonamide?
N-(2-oxocyclopropyl)propane-2-sulfonamide has a molecular weight of 177.22 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxocyclopropyl)propane-2-sulfonamide is sourced from PubChem (CID 139987359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).